ChemSpider 2D Image | (3beta,5beta,9xi,16beta)-3-{[2,6-Dideoxy-D-ribo-hexopyranosyl-(1->4)-(4xi)-2,6-dideoxy-D-erythro-hexopyranosyl-(1->4)-(4xi)-2,6-dideoxy-beta-D-erythro-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-eno
lide | C41H64O14

(3β,5β,9ξ,16β)-3-{[2,6-Dideoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2,6-dideoxy-D-erythro-hexopyranosyl-(1->4)-(4ξ)-2,6-dideoxy-β-D-erythro-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-eno lide

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID17466697
  • defined stereocentres - 16 of 21 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,5β,9ξ,16β)-3-{[2,6-Dideoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2,6-dideoxy-D-erythro-hexopyranosyl-(1->4)-(4ξ)-2,6-dideoxy-β-D-erythro-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-eno lide [ACD/IUPAC Name]
(3β,5β,9ξ,16β)-3-{[2,6-Didesoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2,6-didesoxy-D-erythro-hexopyranosyl-(1->4)-(4ξ)-2,6-didesoxy-β-D-erythro-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)- enolid [German] [ACD/IUPAC Name]
(3β,5β,9ξ,16β)-3-{[2,6-Didésoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2,6-didésoxy-D-érythro-hexopyranosyl-(1->4)-(4ξ)-2,6-didésoxy-β-D-érythro-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)- énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O-2,6-dideoxy-D-ribo-hexopyranosyl-(1->4)-O(4ξ)-2,6-dideoxy-D-erythro-hexopyranosyl-(1->4)-(4ξ)-2,6-dideoxy-β-D-erythro-hexopyranosyl]oxy]-14,16-dihydroxy-, (3β,5β, 9ξ,16β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 932.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.8±6.0 kJ/mol
Flash Point: 278.6±27.8 °C
Index of Refraction: 1.602
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.27
ACD/KOC (pH 5.5): 129.56
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.27
ACD/KOC (pH 7.4): 129.56
Polar Surface Area: 203 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 572.3±5.0 cm3

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